(4-cyano-4-heptyl-cyclohexyl) 4-(5-hexylpyrimidin-2-yl)benzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 4-(5-hexyl-2-pyrimidinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-hexylpyrimidin-2-yl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C31H43N3O2 MolecularWeight: 489.69202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)C#N

InChI

InChI=1S/C31H43N3O2/c1-3-5-7-9-11-19-31(24-32)20-17-28(18-21-31)36-30(35)27-15-13-26(14-16-27)29-33-22-25(23-34-29)12-10-8-6-4-2/h13-16,22-23,28H,3-12,17-21H2,1-2H3